2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide

C20H29N5O3 — CID 42526175

IUPAC2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide
SMILESCc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(Cc2nccn2C)C(C)C)o1
InChIInChI=1S/C20H29N5O3/c1-14(2)25(13-18-21-7-9-23(18)4)19(26)11-17-20(27)22-8-10-24(17)12-16-6-5-15(3)28-16/h5-7,9,14,17H,8,10-13H2,1-4H3,(H,22,27)/t17-/m0/s1
InChIKeyJIMPIJBFNSJSGZ-KRWDZBQOSA-N
MW387.48 g/mol
LogP1.45
Rot. Bonds7

About 2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide

2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide (PubChem CID 42526175) has the molecular formula C20H29N5O3 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide
PubChem CID42526175
Molecular FormulaC20H29N5O3
Molecular Weight387.48 g/mol
Exact Mass387.23
IUPAC Name2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide
SMILESCc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(Cc2nccn2C)C(C)C)o1
InChIInChI=1S/C20H29N5O3/c1-14(2)25(13-18-21-7-9-23(18)4)19(26)11-17-20(27)22-8-10-24(17)12-16-6-5-15(3)28-16/h5-7,9,14,17H,8,10-13H2,1-4H3,(H,22,27)/t17-/m0/s1
InChIKeyJIMPIJBFNSJSGZ-KRWDZBQOSA-N
XLogP1.45
TPSA83.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide (CID 42526175) is 2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide is Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(Cc2nccn2C)C(C)C)o1.
What is the InChIKey of 2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide?
The InChIKey is JIMPIJBFNSJSGZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H29N5O3/c1-14(2)25(13-18-21-7-9-23(18)4)19(26)11-17-20(27)22-8-10-24(17)12-16-6-5-15(3)28-16/h5-7,9,14,17H,8,10-13H2,1-4H3,(H,22,27)/t17-/m0/s1.
What are the key properties of 2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide?
2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide has a molecular weight of 387.48 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 42526175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).